Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Br- InChIKey
IAJRFMFJMCARHF-UHFFFAOYSA-N- Molecular formula
- C15H10BrF3O3
- Average molar mass
- 375.14 g/mol
- Monoisotopic mass
- 373.97654
Names & identifiers
- Preferred name
- Methyl 4-bromo-4'-(trifluoromethoxy)biphenyl-3-carboxylate
- IUPAC
- methyl 2-bromo-5-[4-(trifluoromethoxy)phenyl]benzoate
Names & synonyms
Methyl 4-bromo-4'-(trifluoromethoxy)biphenyl-3-carboxylateMethyl 4-bromo-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylateSCHEMBL5095625A1-77798910818-95-0
Database identifiers
- PubChem CID
- 69309261
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
2 records
Compound notes
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